8BE5

Crystal structure of SOS1-KRasG12V-Nanobody22-Nanobody75

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96858
Spacegroup name	I 4 2 2
Unit cell lengths	124.080, 124.080, 408.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 3.130
R-factor	0.2286
Rwork	0.226
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkd
RMSD bond length	0.011
RMSD bond angle	1.381
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.320
High resolution limit [Å]	3.130	3.130
Number of reflections	28523	4364
<I/σ(I)>	13.65
Completeness [%]	99.3
Redundancy	10.8
CC(1/2)	0.990	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% PEG 4000, 0.1 M sodium citrate, pH 5.5 and 0.2 M sodium acetate